N-(2-chloro-4-methylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C19H24ClN3O — CID 20965216

IUPACN-(2-chloro-4-methylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)N2CCn3c(C)ccc3C2C(C)C)c(Cl)c1
InChIInChI=1S/C19H24ClN3O/c1-12(2)18-17-8-6-14(4)22(17)9-10-23(18)19(24)21-16-7-5-13(3)11-15(16)20/h5-8,11-12,18H,9-10H2,1-4H3,(H,21,24)
InChIKeyBFJVTJFOGUCDHU-UHFFFAOYSA-N
MW345.87 g/mol
LogP5.00
Rot. Bonds2

About N-(2-chloro-4-methylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

N-(2-chloro-4-methylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 20965216) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID20965216
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC NameN-(2-chloro-4-methylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)N2CCn3c(C)ccc3C2C(C)C)c(Cl)c1
InChIInChI=1S/C19H24ClN3O/c1-12(2)18-17-8-6-14(4)22(17)9-10-23(18)19(24)21-16-7-5-13(3)11-15(16)20/h5-8,11-12,18H,9-10H2,1-4H3,(H,21,24)
InChIKeyBFJVTJFOGUCDHU-UHFFFAOYSA-N
XLogP5.00
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.87
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-N-(2-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965221
(1S)-N-(2,5-dimethylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92712035
N-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17148611
2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 53016714
N-(2-chloro-4-methylphenyl)azocane-1-carboxamide
CID 17180409
(2S)-N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 95653604
(2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide
CID 28881797
(4aS,8aS)-N-(2-chloro-4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944346
2-chloro-N-[(2-chloro-4-methylphenyl)carbamoyl]propanamide
CID 43146433
(2S)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 92500015
2-[1-[(2-chloro-4-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617426
(1S)-1-ethyl-6-methyl-N-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92703590

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 20965216) is N-(2-chloro-4-methylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is Cc1ccc(NC(=O)N2CCn3c(C)ccc3C2C(C)C)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is BFJVTJFOGUCDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-12(2)18-17-8-6-14(4)22(17)9-10-23(18)19(24)21-16-7-5-13(3)11-15(16)20/h5-8,11-12,18H,9-10H2,1-4H3,(H,21,24).
What are the key properties of N-(2-chloro-4-methylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
N-(2-chloro-4-methylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 345.87 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 20965216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).